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Investigation of Mechanical Properties of Quartz and Illite in Shale Using Molecular Dynamics Simulation

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Abstract

Shale oil production has been significantly boosted since the large-scale hydraulic fracturing revolution, determining that the mechanical properties of shale are essential for hydraulic fracturing. The macro-mechanical properties of shale have been investigated broadly. However, shale is comprised of multiple minerals and it is characterized by heterogeneity, anisotropy, and multi-scale properties of micro-components that impact its macro-mechanical properties. Firstly, this paper investigated the micro-mechanical properties of the main minerals (quartz and illite) in shale based on previous research results. Then, by considering the influence of anisotropy, we utilized a molecular dynamics (MD) technique to analyze the deformation mechanism of tensile failure as well as calculate and verify the mineral elastic parameters. Next, the surface energy density and fracture toughness of quartz and illite were determined based on the Griffith theory of brittle fracture. Finally, we compared the differences in mechanical properties between inorganic and organic matter and discussed the microscopic mechanical properties of various components in shale and their impacts on hydraulic fractures. The results indicated the following: (1) The tensile failure process of illite and quartz follows a sequence of “elastic response → bond breaking/hole failure → crack nucleation → crack propagation.” (2) The bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio of quartz were 39.38 GPa, 53.42 GPa, 110.36 GPa, and 0.03, respectively, and those of illite were 79.1 GPa, 44.3 GPa, 117.99 GPa, and 0.264, respextively. (3) Brittle failure mainly occurred in quartz; in contrast, illite had apparent plastic deformation in the Y direction and brittle failure in the XZ direction; in addition, the Gc (critical energy release rate) and KIC (critical stress intensity factor) of quartz were larger than those of illite in all directions. (4) The mechanical properties of different components in shale were as follows: quartz easily developed hydraulic fractures with branches due to high elasticity and high brittleness; illite and organic matter were ductile, especially organic matter, resulting in rock fractures characterized by short length, blunt, and poorly connected. The micro-mechanical properties of the primary components in shale impact its macro-mechanical properties. This finding provides insights into macro-simulations.

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Acknowledgment

This paper is financially supported by the National Natural Science Foundation of China (51804078, 52074087); China Postdoctoral Science Foundation (2019M651255); Postdoctoral Foundation of Hei Long Jiang (LBH-Z18039).

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Authors and Affiliations

  1. Department of Petroleum Engineering, Northeast Petroleum University, Daqing, 163318, China

    Shuang Liang, Shuo Sun, Yikun Liu & Jingkun Wang

  2. Key Laboratory of Enhanced Oil Recovery (Northeast Petroleum University), Ministry of Education, Daqing, 163318, China

    Shuang Liang, Shuo Sun, Yikun Liu & Jingkun Wang

  3. The No.2 Oil Production Plant of Northwest Petroleum Bureau, Sinopec, Urumqi, 830011, China

    Mingyu Gao

  4. State Key Laboratory for Disaster Prevention and Mitigation of Explosion and Impact, Army Engineering University of PLA, Nanjing, 210007, China

    Wanxin Li

  5. Development Corporation of Xinjiang Oilfield Company, PetroChina Company Limited, Karamay, 834000, Xinjiang, China

    Jiaming Wang

  6. The Fourth Oil Production Plant of Daqing Oilfield Limited Company, Daqing, 163453, China

    Chengfeng Yin

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  1. Shuang Liang
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Liang, S., Gao, M., Sun, S. et al. Investigation of Mechanical Properties of Quartz and Illite in Shale Using Molecular Dynamics Simulation. Nat Resour Res 32, 2945–2963 (2023). https://doi.org/10.1007/s11053-023-10251-y

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